N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide

C19H23NO2S — CID 4086400

IUPACN-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide
SMILESCOc1ccc(CNC(=O)CCSCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO2S/c1-15-3-5-17(6-4-15)14-23-12-11-19(21)20-13-16-7-9-18(22-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,20,21)
InChIKeyLMYGBGMTAGVCAZ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.94
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide

N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide (PubChem CID 4086400) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide
PubChem CID4086400
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide
SMILESCOc1ccc(CNC(=O)CCSCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO2S/c1-15-3-5-17(6-4-15)14-23-12-11-19(21)20-13-16-7-9-18(22-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,20,21)
InChIKeyLMYGBGMTAGVCAZ-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide (CID 4086400) is N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide is COc1ccc(CNC(=O)CCSCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide?
The InChIKey is LMYGBGMTAGVCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-3-5-17(6-4-15)14-23-12-11-19(21)20-13-16-7-9-18(22-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide?
N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 4086400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).